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Oxygen deficiency mechanism of La_(3)Ni_(2)O_(7–δ)under pressure: 《Science China(Physics,Mechanics & Astronomy)》2025年第4期171-179,共9页Yu Chen Ke Zhang Minghui Xu Yan Zhao Haiyan Xiao Liang Qiao; supported by the Key Research and Development Program of China(Grant No.2023YFA1406301);the National Natural Science Foundation of China(Grant No.12274061);the Sichuan Science and Technology Program(Grant No.2024ZYD0164)。; The recent discovery of superconductivity in pressurized bilayer nickelate La_(3)Ni_(2)O_7has triggered tremendous research interest.However,the experimentally observed oxygen deficiency implies that obtaining perfect...; 关键词：La_(3)Ni_(2)O_(7–δ) DFT calculations chemical potential oxygen vacancy electronic structure

General theory for designing phonon transport in alloyed/doped materials: 《Science China(Physics,Mechanics & Astronomy)》2024年第12期133-140,共8页Chenhan Liu Chao Wu Wei Liu Yunshan Zhao Gang Zhang Hongmin Yang Yunfei Chen; supported by the National Natural Science Foundation of China(Grant No.52206092);the Natural Science Foundation of Jiangsu Province(Grant No.BK20210565);the Department of Science and Technology of Jiangsu Province(Grant No.BK20220032);funded by Nanjing Science and Technology Innovation Project for Overseas Students;“Shuangchuang”Doctor program of Jiangsu Province(Grant No.JSSCBS20210315);supported by the Big Data Computing Center of Southeast University;the Scientific Computing Center of Nanjing Normal University。; Alloying/doping is a widely used technique for improving the electrical,mechanical,and optical properties of materials.However,this technology induces significant distortions in the lattice structure,mass distribution...; 关键词：phonon transport alloyed/doped materials crystal symmetry lattice contraction electronic structure

Experimental observation of the significant difference between surface and bulk Kondo processes in Kondo lattice YbCu_(2)Si_(2): 《Science China(Physics,Mechanics & Astronomy)》2024年第4期154-160,共7页Yin-Zou Zhao Jiao-Jiao Song Qi-Yi Wu Hao Liu Chen Zhang Bo Chen Hong-Yi Zhang Zhen-Hua Chen Yao-Bo Huang Xue-Qing Ye Ya-Hua Yuan Yu-Xia Duan Jun He Jian-Qiao Meng; supported by the National Natural Science Foundation of China (Grant No. 12074436);the National Key Research and Development Program of China (Grant No. 2022YFA1604204);the Science and Technology Innovation Program of Hunan Province (Grant No. 2022RC3068); Synchrotron-based angle-resolved photoemission spectroscopy was employed to investigate the temperature evolution of the Yb 4 f spectral for surface and bulk in the Kondo lattice YbCu_(2)Si_(2).Our study quantitativel...; 关键词：Kondo lattice angle-resolved photoemission spectroscopy electronic structure HYBRIDIZATION surface state

Tunable magneto-Seebeck effect in Co_(2)FeSi/MgO/Co_(2)FeSi heterostructure via optimized interfacial engineering: 《Science China(Physics,Mechanics & Astronomy)》2024年第3期128-135,共8页Jingyu Li Xianbiao Shi Yurong Jin Le Ma Liuming Wei Chi Zhang Hang Li Peng-Fei Liu; supported by the National Natural Science Foundation of China (Grant No. 12104458);Foshan (Southern China) Institute for New Materials (Grant No. 2021AYF25021)。; Enhancing the tunneling magneto-Seebeck(TMS) ratio and uncovering its underlying mechanism are greatly demanded in spin caloritronics.The magnitude and sign of the TMS effect depend on the type of atom and the stackin...; 关键词：magneto-Seebeck effect interface SPINTRONICS electronic structure spin-Seebeck effect

Electronic origin of the unusual thermal properties of copper-based semiconductors:The s-d coupling-induced large phonon anharmonicity: 《Science China(Physics,Mechanics & Astronomy)》2023年第7期112-119,共8页Kaike Yang Huai Yang Yujia Sun Zhongming Wei Jun Zhang Ping-Heng Tan Jun-Wei Luo Shu-Shen Li Su-Huai Wei Hui-Xiong Deng; supported by the National Natural Science Foundation of China(Grant Nos.12174099,61922077,11874347,12088101,11991060;U2230402);the National Key Research and Development Program of China(Grant Nos.2018YFB2200100,and 2020YFB1506400);the Key Research Program of the Chinese Academy of Sciences(Grant No.XDPB22);the Beijing Science and Technology Committee(Grant No.Z181100005118003);supported by the Youth Innovation Promotion Association of the Chinese Academy of Sciences(Grant No.Y2021042)。; Copper(Cu)-based materials(such as cuprates,Cu chalcogenides,and Cu halides)often exhibit unusual properties such as superconductivity,ultralow thermal conductivity,and superionicity.However,the electronic origin of t...; 关键词：ANHARMONICITY copper-based semiconductor electronic structure thermal conductivity

Surface morphology and electronic structure in stoichiometric superconductor CaKFe_(4)As_(4) robed by scanning tunneling microscopy/spectroscopy被引量：5: 《Science China(Physics,Mechanics & Astronomy)》2021年第12期144-150,共7页Xiaodong Yu Zhongxu Wei Zhanyi Zhao Tao Xie Chang Liu Ge He Qihong Chen Lei Shan Huiqian Luo Qing Huan Jie Yuan Kui Jin; supported by the National Key Basic Research Program of China(Grant Nos.2017YFA0302902,2016YFA0300301,2017YFA0303003,and 2018YFB0704102);the National Natural Science Foundation of China(Grant Nos.11927808,11834016,118115301,119611410,11961141008,11822411,and 11961160699);the Key Research Program of Frontier Sciences,Chinese Academy of Sciences(Grant Nos.QYZDBSSW-SLH008,and QYZDY-SSW-SLH001);the Strategic Priority Research Program(B)of Chinese Academy of Sciences(Grant Nos.XDB25000000,and XDB33000000);the Beijing Natural Science Foundation(Grant Nos.Z190008,and JQ19002);the Key-Area Research and Development Program of Guangdong Province(Grant No.2020B0101340002);the CAS Interdisciplinary Innovation Team;support from the Youth Innovation Promotion Association of CAS(Grant No.Y202001)。; CaKFe_(4)As_(4) is a new-type superconductor with a relatively high transition temperature of 35 K among stoichiometric iron-based superconductors. Based on scanning tunneling microscopy/spectroscopy, the surface morp...; 关键词：CaKFe_(4)As_(4) scanning tunneling microscopy surface reconstructions SUPERCONDUCTIVITY

Electronic structure of LaIrIn5and f-electron character in its related Ce-115 compounds: 《Science China(Physics,Mechanics & Astronomy)》2020年第11期90-97,共8页Rui Zhou XueBing Luo ZhaoFeng Ding Lei Shu XingYu Ji ZiHao Zhu YaoBo Huang DaWei Shen ZhengTai Liu ZhongHao Liu Yun Zhang QiuYun Chen; supported by the National Natural Science Foundation of China(Grant Nos.11874330,11774320,U1630248,and 11904334);the National Key Research and Development Program of China(Grant No.2017YFA0303104);the National Key R&D Program of the MOST of China(Grant No.2016YFA0300204);the special fund from Institute of Materials,CAEP(Grant No.TP02201904);the Equipment development fund(Grant No.JZX7Y201901SY00900107);the Science Challenge Project(Grant No.TZ2016004);Part of this research used Beamline 03U of the Shanghai Synchron Radiation Facility,which is supported by ME2 project under contract No.11227902 from National Natural Science Foundation of China;supported by“Award for Outstanding Member in Youth Innovation Promotion Association CAS”。; LaIrIn5 is a reference compound of the heavy-fermion superconductor LaIrIn5.The lack of f electrons in LaIrIn5 indicates that there should not be any f electron participating in the construction of its Fermi surface.T...; 关键词：ARPES DFT heavy fermion LaIrIn5

Electronic structure evolution accompanying heavy fermion formation in CeCu2Si2: 《Science China(Physics,Mechanics & Astronomy)》2020年第8期123-131,共9页XueBing Luo Yun Zhang QiuYun Chen Qin Liu LiZhu Luo ShiYong Tan XieGang Zhu XinChun Lai; supported by the National Natural Science Foundation of China(Grant No.11774320);the Dean Foundation of China Academy of Engineering Physics(Grant No.201501040)。; The cooper pairs in the heavy-fermion superconductor CeCu2Si2 are formed of heavy fermions.Therefore,the heavy fermions are fundamental to the emergence of unconventional superconductivity and associated non-Fermi-liq...; 关键词：CeCu2Si2 heavy-fermion formation temperature electronic structure DFT+DMFT

Electronic structure of La (0001) thin films on W (110) studied by photoemission spectroscopy and first principle calculations被引量：1: 《Science China(Physics,Mechanics & Astronomy)》2020年第6期83-88,共6页XingYu Ji QiuYun Chen XinChun Lai Li Huang ShiYong Tan; supported by the National Key Research and Development Program of China(Grant No.2017YFA0303104);the Science Challenge Project(Grant No.TZ2016004);the National Natural Science Foundation of China(Grant Nos.11874330,11774320,U1630248,11504341,11504342)。; Surface states that have a dz2 symmetry around the center of the surface Brillouin zone(BZ)have been regarded common in closely-packed surfaces of rare-earth metals.In this work,we report the electronic structure of d...; 关键词：La thin film surface state electronic structure ARPES

Effect of defects on the electronic structure of a PbI2/MoS2 van der Waals heterostructure: A first-principles study被引量：2: 《Science China(Physics,Mechanics & Astronomy)》2020年第3期64-69,共6页Wen He HuaWei Li HuiQiong Zhou HongKang Zhao Hui Wang XingHua Shi; National Natural Science Foundation of China(Grant No.11672079);the National Science Foundation of Beijing(Grant No.2184130)。; PbI2/MoS2,as a typical van der Waals(vdW)heterostructure,has attracted intensive attention owing to its remarkable electronic and optoelectronic properties.In this work,the effect of defects on the electronic structur...; 关键词：defect engineering electronic structures PbI2/MoS2 VAN der WAALS HETEROSTRUCTURE FIRST-PRINCIPLES study

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